3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one

C12H12N2O3 — CID 13136110

IUPAC3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(-c2ccc(=O)[nH]n2)cc1OC
InChIInChI=1S/C12H12N2O3/c1-16-10-5-3-8(7-11(10)17-2)9-4-6-12(15)14-13-9/h3-7H,1-2H3,(H,14,15)
InChIKeyZHNHPPJSMFUHRS-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.45
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one

3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one (PubChem CID 13136110) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
PubChem CID13136110
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(-c2ccc(=O)[nH]n2)cc1OC
InChIInChI=1S/C12H12N2O3/c1-16-10-5-3-8(7-11(10)17-2)9-4-6-12(15)14-13-9/h3-7H,1-2H3,(H,14,15)
InChIKeyZHNHPPJSMFUHRS-UHFFFAOYSA-N
XLogP1.45
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one (CID 13136110) is 3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one is COc1ccc(-c2ccc(=O)[nH]n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is ZHNHPPJSMFUHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-10-5-3-8(7-11(10)17-2)9-4-6-12(15)14-13-9/h3-7H,1-2H3,(H,14,15).
What are the key properties of 3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one?
3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 232.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 13136110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).